N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine

C13H20N4 — CID 114412502

IUPACN-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(N2CC=CCC2)n1
InChIInChI=1S/C13H20N4/c1-11(2)15-9-12-8-14-10-13(16-12)17-6-4-3-5-7-17/h3-4,8,10-11,15H,5-7,9H2,1-2H3
InChIKeyPVPGRBGDFODFHH-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.74
Rot. Bonds4

About N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine

N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 114412502) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID114412502
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(N2CC=CCC2)n1
InChIInChI=1S/C13H20N4/c1-11(2)15-9-12-8-14-10-13(16-12)17-6-4-3-5-7-17/h3-4,8,10-11,15H,5-7,9H2,1-2H3
InChIKeyPVPGRBGDFODFHH-UHFFFAOYSA-N
XLogP1.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 114412543
N-[[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66456778
N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 79945265
N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66449148
N-[[6-(2-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66451715
6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-amine
CID 115969557
N-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66450549
N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine
CID 66449940
N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66450933
N-[(6-ethoxypyrazin-2-yl)methyl]propan-2-amine
CID 66450778
N-ethyl-N-methyl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 66456595
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 115562086

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine (CID 114412502) is N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cncc(N2CC=CCC2)n1.
What is the InChIKey of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is PVPGRBGDFODFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-11(2)15-9-12-8-14-10-13(16-12)17-6-4-3-5-7-17/h3-4,8,10-11,15H,5-7,9H2,1-2H3.
What are the key properties of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114412502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).